3-[(4,6-Dimethylpyrimidin-2-yl)(methyl)amino]benzoic acid
Basic information
- CAS
387350-52-9- Standard SMILES
Cc1cc(C)nc(N(C)c2cccc(C(=O)O)c2)n1- InChIKey
RBXVYGAOARRNSJ-UHFFFAOYSA-N- Molecular formula
- C14H15N3O2
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.11642673
Names & identifiers
- Preferred name
- 3-[(4,6-Dimethylpyrimidin-2-yl)(methyl)amino]benzoic acid
- IUPAC
- 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]benzoic acid
- English name
- 3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)(METHYL)AMINO]BENZOICACID
- Molecular formula
- C14H15N3O2
- Molecular weight
- 257.29
Names & synonyms
3-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]benzoic acid3-((4,6-Dimethylpyrimidin-2-yl)(methyl)amino)benzoic acidDTXSID40371261RefChem:496496DTXCID60322295674-451-2387350-52-9MFCD002032663-[(4,6-dimethylpyrimidin-2-yl)-methylamino]benzoic acid3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)(METHYL)AMINO]BENZOICACIDPeakdale1_0004853-((4,6-Dimethylpyrimidin-2-yl)(methyl)amino)benzoicacid
Show more names
Olutasidenib Impurity 82-[(3-Carboxyphenyl)(methyl)amino]-4,6-dimethylpyrimidineBenzoic acid, 3-[(4,6-dimethyl-2-pyrimidinyl)methylamino]-
HMS519G01SCHEMBL3874693SBB101875AKOS015842627SB57853PS-11047CS-0451984F023727
Database identifiers
- CAS
387350-52-9- PubChem CID
- 2736305
- DTXSID
DTXSID40371261- EC Number
- 674-451-2
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 168 · 168~170℃
- form
- Solid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H317
- Precautionary statements
- 501 · P501-P261-P272-P264-P280-P362+P364-P303+P361+P353-P333+P313-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P405
- HS Code
- 2922498590 · 2922498590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2922498590
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H314-H317
- Precautionary statements
- P501-P261-P272-P264-P280-P362+P364-P303+P361+P353-P333+P313-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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